SCHEMBL30281192

SCHEMBL30281192

O=C(OCC(F)(F)F)c1ncn[nH]1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.43
HTT P42858 2/20 0.40
GABRA1 P14867 4/20 0.39
GABRG2 P18507 4/20 0.39
GABRB3 P28472 4/20 0.39
GABRA5 P31644 4/20 0.39
GABRA3 P34903 4/20 0.39
GABRA2 P47869 4/20 0.39
GABRA4 P48169 3/20 0.38
GABRA6 Q16445 3/20 0.38
APOBEC3A P31941 1/20 0.38
APOBEC3G Q9HC16 1/20 0.38
JMJD6 Q6NYC1 1/20 0.36
L3MBTL1 Q9Y468 4/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9920430 0.77 ALDH1A1 (0.47) KDM4EHTTAPOBEC3AAPOBEC3GJMJD6
SCHEMBL29913411 0.69 MEN1 (0.43) KDM4EHTTGABRA1GABRG2GABRB3
SCHEMBL1311420 0.68 GABRA1 (0.43) KDM4EHTTGABRA1GABRG2GABRB3
SCHEMBL13531221 0.67 HCAR2 (0.42) HTTGABRA1GABRG2GABRB3GABRA5
SCHEMBL1496824 0.66 MAPK1 (0.55) HTTJMJD6L3MBTL1SMN1; SMN2CYP1A2
SCHEMBL2718057 0.66 SRD5A2 (0.50) KDM4ESMN1; SMN2ALDH1A1TSHRHSD17B10
SCHEMBL1947309 0.65
Water SCHEMBL23909393 0.64
Water SCHEMBL23909392 0.64 NPSR1 (0.49) KDM4EHTTAPOBEC3AAPOBEC3GL3MBTL1
SCHEMBL2003037 0.63 TSHR (0.55) KDM4EGABRA1GABRG2GABRB3GABRA5

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4143195-A1 IMIDAZOPYRIDAZINES AS MODULATORS OF IL-17 Janssen Pharmaceutica NV (BE) 2023-03-08 EP disclosed